
Research Interests:
- Electronic Structure of Condensed Physics
- Materials Modelling and Simulation
Bio:
Educational Background
- PhD, Nuclear Physics, Nanjing University (1990)
- MA, Nuclear Physics, Nanjing University (1987)
- BA, Nuclear Physics, Nanjing University (1984)
Research Projects
- Design and Theories of Gigahertz Carbon Nanotube Oscillation,Natural Science Foundation of Jiangsu Province. BK2008427
- Magnetic Theory of Single-Molecule Magnets, Natural Science Foundation of China, Grant No. 10704041
Journal Articles
- Water permeability in carbon nanotube arrays, Acta Phys. Sin., 64(23), (2015) 230201
- Flux controllable pumping of water molecules in a double-walled carbon nanotube, Acta Phys. Sin. Vol. 64(11), (2015) 116101
- Torsional mechanical properties of (n, n)-(2n, 0) carbon nanotubes heterojunction, Acta Phys. Sin. Vol., 64(10) (2015) 106102
- Origin of the relaxation barriers in a family of MReIV(CN)2 single-chain magnets (M = MnII, NiII, and CoII): a theoretical investigation, New J. Chem., 2015, 39, 445—452
- Magneto-Structural Correlations in a Family of FeIIReIV(CN)2 Single Chain Magnets: Density Functional Theory and Ab Initio Calculations, Inorg. Chem. 2014, 53, 3503−351
- Comment on “Electrical-Driven Transport of Endohedral Fullerene Encapsulating a Single Water Molecule”, Phys.Rev.Lett. 113, 119601 (2014)
- Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi, Journal of Physics and Chemistry of Solids 75 (2014) 391–396392
- Exchange Coupling and Magnetic Anisotropy in a Family of Bipyrimidyl Radical-Bridged Dilanthanide Complexes: Density Functional Theory and Ab Initio Calculations, Journal of Computational Chemistry 2014, 35, 904–909
- Giant and flux controllable pumping of water molecules in a double-walled carbon nanotube, http://dx.doi.org/10.1080/08927022.2014.976639
- Understanding the Magnetic Anisotropy in a Family of N23− Radical Bridged Lanthanide Complexes: Density Functional Theory and ab Initio Calculations, J. Phys. Chem. A 2013, 117, 10873−10880
- Structures, Magnetic Properties, and Electronic Counting Rule of Metals-Encapsulated Cage-Like M2Si18(M=Ti-Zn) Clusters, International Journal of Quantum Chemistry 2012,112, 2525–2531
- Exploring the Sources of the Magnetic Anisotropy in a Family of Cyanide-Bridged Ni9Mo6 and Ni9W6 Systems: A Density Functional Theory Study, J. Phys. Chem. A 2011, 115, 7778–7784
- Torsion-induced mechanical couplings of single-walled carbon nanotubes, Appl. Phys. Lett. 99, 231904 (2011)
- Exciton in twisted single-walled carbon nanotube, Phys. Status Solidi C 8(4), (2011)1190
- An ion-charged carbon nanotube oscillator beyond the terahertz regime, Phys. Scr. 84 (2011) 035802
- Strong anisotropy barriers of two theoretically modeled cyano-bridged magnets [(PY5Me2)4M4Re(CN)7]5+ (M=VII, NiII):DFT Predictions,Polyhedron 30 (2011) 3228–3231
- Density-functional investigation of hexagonal prism transition-metal-encapsulated cage M2Si18 ( M=Sc–Zn) clusters, Modelling Simul. Mater. Sci. Eng. 18 (2010) 025011
- On the Origin of Magnetic Anisotropy in Cyanide-Bridged Co9M6 (M = MoV or WV) Systems: A DFT Study, Inorg. Chem. 2009, 48, 10486–10488
- Theoretical study of magnetostructural correlations in a family of triangular manganese(III) complexes, Dalton Trans., 2009, 5627–5636
- Density Functional Theory Studies of the Magnetostructural Correlations in the Cyano-Bridged Mo2Ni and Mo2Ni3 Systems, Eur. J. Inorg. Chem. 2008, 2199–2206
- Theoretical study of the exchange coupling substituting MoV with WV in four cyano-bridged M9M6 (M=MnII or NiII;M=MoV or WV) systems, Dalton Trans., 2008, 4575–4584
- Simulations of nucleation of single-walled carbon nanotubes, phys. stat. sol.(a), 204(2), 555–562 (2007)
- Theoretical Study of the Relationship between the Nearest-Neighbor Exchange Coupling Interactions and the Number of Peripheral Complexes in the Cyano-Bridged CrMn6(CN)6 and CrMn2(CN)2 Clusters, J. Phys. Chem. A 2006, 110, 5096-5101
- Magnetostructural correlations in the cyano-bridged CrNi, Cr2Ni and CrNi6 complexes: density functional theory calculations, J. Mater. Chem., 2006, 16, 4657
- Theoretical Study of the Magnetic Exchange Coupling Behavior Substituting Cr(III) With Mo(III) in Cyano-Bridged Transition Metal Complexes, Inter. J. Quan. Chem., 106, (2006)1551
- Relationship Between the Nearest-Neighbor Exchange Coupling Constants and the Number of Exchange Interactions in the Cyano-Bridged MnMo6(CN)18 Cluster: Density Functional Theory Calculations, Eur. J. Inorg. Chem. 2006, 2292–22982292
- Collision of a single-walled carbon nanotube with graphitic patches, Modelling Simul. Mater. Sci. Eng. 13 (2005) 1403–1409
- A possible packing sequence of nickel clusters: Ni13–Ni32, New Journal of Physics 4 (2002) 10.1–10.8
- Tight binding method simulation of the formation of nanotube, Physics Letters A 289 (2001) 121–126
- The structure of small nickel clusters: Ni2–Ni19, Modelling Simul. Mater. Sci. Eng. 8 (2000) 95–101
Contact:
- Department of Physics, Nanjing Normal University
- Phone:+86-25-85891963-8428
- email: clluo@njnu.edu.cn